SCHEMBL12200355

SCHEMBL12200355

Cc1cc(C)cc(CN(c2ccccc2)C2CCCN(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TACR1 P25103 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
SFRP1 Q8N474 7/20 0.34
WNT3 P56703 3/20 0.34
CETP P11597 3/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP30 Q70CQ3 1/20 0.33
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2494468 0.93 TACR1 (0.43) TACR1CETP
SCHEMBL2494470 0.93 TACR1 (0.43) TACR1CETP
SCHEMBL2481314 0.82 CETP (0.39) TACR1CETP
SCHEMBL12200547 0.81 HTR2C (0.36) CETP
SCHEMBL2475991 0.81 CETP (0.54) CETP
SCHEMBL12200987 0.81 CETP (0.47) CETP
SCHEMBL2475998 0.81 CETP (0.54) CETP
SCHEMBL12201557 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL2127581 0.79 CETP (0.47) TACR1CETP
SCHEMBL3537504 0.79 CETP (0.47) TACR1CETP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed